Chemical ID: 7256086

CC(c1ccc(cc1)F)NC(=O)c2cccc(c2)N(C)C
Chemical ID:
7256086
Name [?]:
3-dimethylamino-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILES [?]:
CC(c1ccc(cc1)F)NC(=O)c2cccc(c2)N(C)C
InChi [?]:
InChI=1/C17H19FN2O/c1-12(13-7-9-15(18)10-8-13)19-17(21)14-5-4-6-16(11-14)20(2)3/h4-12H,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,15,14,16,4,8,5,7,18,2,3,13,6,17,11,9,10,19,12/E:(2,3)(7,8)(9,10)/rA:21cCCCCCCCCFNCOCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19FN2O
All Atoms:40
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.26326
Area:493.83
Solvation:-3.08248
Coulombic:-33.5286
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.344
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.03
LogP (Chemaxon):3.54

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue